==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-SEP-03 1QXX . COMPND 2 MOLECULE: TONB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.KOEDDING,P.HOWARD,L.KAUFMANN,P.POLZER,A.LUSTIG,W.WELTE . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 164 A P 0 0 194 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.3 11.2 33.4 12.5 2 165 A A - 0 0 99 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.996 360.0-122.1-137.6 142.4 10.1 33.9 16.1 3 166 A R - 0 0 224 -2,-0.3 2,-0.1 1,-0.0 0, 0.0 -0.639 25.5-165.9 -89.7 126.8 6.7 34.4 17.7 4 167 A A - 0 0 93 -2,-0.4 2,-0.4 0, 0.0 -1,-0.0 -0.402 16.9-126.6 -95.1 174.6 6.1 37.5 19.8 5 168 A Q - 0 0 75 -2,-0.1 2,-0.3 45,-0.1 42,-0.0 -0.952 30.5-149.9-121.6 144.9 3.2 38.3 22.2 6 169 A A - 0 0 49 -2,-0.4 2,-0.4 40,-0.1 59,-0.0 -0.789 14.4-158.5-126.2 165.1 1.2 41.5 21.8 7 170 A L + 0 0 52 -2,-0.3 2,-0.3 2,-0.0 36,-0.1 -0.988 10.2 172.7-136.9 138.8 -0.8 44.2 23.6 8 171 A R + 0 0 190 -2,-0.4 2,-0.3 35,-0.1 -2,-0.0 -0.828 11.7 172.9-148.7 108.2 -3.4 46.6 22.5 9 172 A I - 0 0 66 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.896 14.5-161.9-110.9 146.4 -5.2 48.7 25.1 10 173 A E + 0 0 188 -2,-0.3 2,-0.3 32,-0.0 -2,-0.0 -0.972 29.1 148.5-123.6 145.8 -7.6 51.5 24.5 11 174 A G - 0 0 59 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.861 34.7-131.5-161.8-176.9 -8.3 53.9 27.3 12 175 A Q - 0 0 141 -2,-0.3 2,-0.3 2,-0.0 59,-0.0 -0.890 15.0-174.0-145.2 170.0 -9.2 57.2 28.7 13 176 A V - 0 0 105 -2,-0.3 2,-0.4 19,-0.1 19,-0.1 -0.872 15.2-141.9-175.0 141.3 -7.9 59.6 31.4 14 177 A K E -A 31 0A 125 17,-0.9 17,-2.6 -2,-0.3 2,-0.4 -0.914 18.8-176.6-114.6 135.3 -8.8 62.8 33.0 15 178 A V E -A 30 0A 69 -2,-0.4 2,-0.4 15,-0.3 15,-0.2 -0.997 11.0-158.8-133.2 134.0 -6.4 65.5 34.0 16 179 A K E +A 29 0A 154 13,-2.1 13,-2.2 -2,-0.4 2,-0.3 -0.927 27.1 152.2-103.9 137.9 -6.8 68.8 35.8 17 180 A F E - 0 0 96 -2,-0.4 2,-0.3 11,-0.2 10,-0.2 -0.980 39.1-111.8-154.1 170.1 -4.2 71.6 35.5 18 181 A D E -A 26 0A 89 8,-2.5 8,-2.0 -2,-0.3 2,-0.4 -0.714 20.8-146.0 -95.4 151.5 -3.4 75.3 35.6 19 182 A V E -A 25 0A 101 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.996 17.9-145.8-118.2 124.8 -2.2 77.4 32.6 20 183 A T - 0 0 41 4,-2.6 3,-0.3 -2,-0.4 6,-0.0 -0.172 25.2-108.2 -81.6 175.7 0.2 80.2 33.3 21 184 A P S S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.810 119.3 63.4 -78.4 -29.0 0.4 83.6 31.5 22 185 A D S S- 0 0 131 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.812 122.3-110.6 -58.2 -28.2 3.7 82.5 29.9 23 186 A G S S+ 0 0 56 1,-0.3 2,-0.3 -3,-0.3 -1,-0.1 0.656 76.1 124.9 104.1 26.9 1.4 79.9 28.2 24 187 A R - 0 0 195 1,-0.0 -4,-2.6 0, 0.0 -1,-0.3 -0.875 59.8-114.7-120.8 146.9 2.8 76.7 29.9 25 188 A V E +A 19 0A 88 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.498 40.0 164.1 -80.6 149.3 0.9 74.1 32.0 26 189 A D E +A 18 0A 83 -8,-2.0 -8,-2.5 -2,-0.2 0, 0.0 -0.976 46.4 38.3-153.5 163.3 1.6 73.6 35.7 27 190 A N E S- 0 0 102 -2,-0.3 -1,-0.1 -10,-0.2 2,-0.1 0.803 71.2-176.1 67.3 34.4 0.2 72.0 38.8 28 191 A V E + 0 0 69 -11,-0.1 2,-0.3 -10,-0.1 -11,-0.2 -0.347 11.2 174.0 -64.7 135.0 -1.1 68.9 37.0 29 192 A Q E -A 16 0A 137 -13,-2.2 -13,-2.1 -2,-0.1 2,-0.4 -0.990 27.7-126.6-131.2 143.6 -3.0 66.2 38.9 30 193 A I E -A 15 0A 100 -2,-0.3 2,-0.9 -15,-0.2 -15,-0.3 -0.707 10.1-141.6 -80.0 137.3 -4.7 63.2 37.4 31 194 A L E -A 14 0A 78 -17,-2.6 2,-0.9 -2,-0.4 -17,-0.9 -0.883 23.4-152.6 -88.9 100.4 -8.3 62.6 38.1 32 195 A S + 0 0 88 -2,-0.9 4,-0.1 1,-0.2 -19,-0.1 -0.697 22.6 174.2 -83.4 106.5 -8.1 58.8 38.5 33 196 A A + 0 0 93 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.780 64.2 57.9 -84.8 -33.2 -11.5 57.4 37.6 34 197 A K S S- 0 0 112 1,-0.1 4,-0.1 2,-0.1 0, 0.0 -0.691 114.8 -68.8 -90.3 152.3 -10.6 53.7 37.8 35 198 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.171 68.9 -90.4 -32.6 126.2 -9.2 52.1 41.0 36 199 A A S S+ 0 0 91 -4,-0.1 2,-1.1 1,-0.1 3,-0.3 0.554 121.2 68.2 -22.9 -55.2 -5.6 53.7 41.5 37 200 A N + 0 0 93 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 -0.618 61.5 142.8 -67.9 95.9 -3.9 50.9 39.5 38 201 A M > + 0 0 66 -2,-1.1 4,-1.4 -4,-0.1 -1,-0.2 0.834 68.4 40.1-103.9 -52.1 -5.3 51.7 36.0 39 202 A F H > S+ 0 0 101 -3,-0.3 4,-1.0 1,-0.2 3,-0.2 0.947 116.7 52.7 -66.4 -48.8 -2.4 51.1 33.6 40 203 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.827 106.8 49.6 -53.5 -47.0 -1.4 47.9 35.5 41 204 A R H > S+ 0 0 153 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 108.3 53.8 -66.8 -36.7 -4.8 46.3 35.5 42 205 A E H X S+ 0 0 46 -4,-1.4 4,-1.4 -3,-0.2 -1,-0.2 0.739 110.9 47.9 -69.2 -24.1 -5.3 46.8 31.7 43 206 A V H X S+ 0 0 25 -4,-1.0 4,-1.4 -3,-0.3 -2,-0.2 0.948 110.1 47.4 -78.6 -57.2 -1.9 45.1 31.1 44 207 A K H < S+ 0 0 147 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.832 112.0 56.1 -52.3 -33.8 -2.5 42.0 33.3 45 208 A N H >X S+ 0 0 64 -4,-1.6 3,-2.1 -5,-0.3 4,-0.6 0.966 102.2 51.7 -65.5 -51.5 -5.8 41.8 31.6 46 209 A A H 3< S+ 0 0 3 -4,-1.4 3,-0.3 1,-0.3 -1,-0.2 0.708 101.8 62.8 -60.9 -21.3 -4.3 41.7 28.1 47 210 A M T 3< S+ 0 0 80 -4,-1.4 3,-0.3 1,-0.2 -1,-0.3 0.424 85.8 73.7 -83.5 -4.6 -2.0 38.8 29.2 48 211 A R T <4 S+ 0 0 169 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.877 94.2 55.4 -58.7 -45.4 -5.1 36.6 29.8 49 212 A R S < S+ 0 0 135 -4,-0.6 2,-0.2 -3,-0.3 -1,-0.2 0.493 83.8 112.0 -69.4 -7.4 -5.4 36.4 26.1 50 213 A W - 0 0 33 -3,-0.3 2,-0.3 -45,-0.0 -45,-0.1 -0.569 55.3-152.0 -77.7 138.2 -1.9 35.1 25.8 51 214 A R + 0 0 187 -2,-0.2 2,-0.3 0, 0.0 -2,-0.1 -0.849 17.0 175.0-112.8 143.3 -1.6 31.6 24.6 52 215 A Y - 0 0 144 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.907 42.2 -86.1-134.5 164.3 1.1 28.9 25.3 53 216 A E > - 0 0 136 -2,-0.3 3,-1.2 3,-0.1 2,-0.1 -0.535 46.9-116.5 -81.6 138.4 1.4 25.2 24.3 54 217 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.383 94.6 31.9 -76.7 149.6 -0.3 22.7 26.8 55 218 A G T 3 S+ 0 0 82 -2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.462 100.6 86.2 75.2 0.1 1.8 20.2 28.6 56 219 A K < + 0 0 177 -3,-1.2 2,-0.2 2,-0.0 -3,-0.1 -0.744 60.0 156.8-123.6 89.3 4.8 22.5 28.7 57 220 A P + 0 0 120 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.520 10.2 162.1 -93.4 170.0 4.4 24.7 31.9 58 221 A G - 0 0 60 -2,-0.2 2,-0.3 3,-0.0 3,-0.1 -0.964 23.5-127.4-169.1 177.0 6.7 26.7 34.1 59 222 A S S S+ 0 0 118 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.969 78.7 34.2-140.8 158.0 6.9 29.5 36.7 60 223 A G S S+ 0 0 71 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.609 72.3 166.9 72.1 18.4 8.8 32.7 37.2 61 224 A I - 0 0 121 -3,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.437 17.4-159.6 -65.5 135.6 8.8 33.3 33.5 62 225 A V + 0 0 129 -2,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.895 16.7 170.2-121.8 147.5 9.9 36.9 32.7 63 226 A V - 0 0 83 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.987 23.7-139.1-149.8 150.4 9.5 39.2 29.7 64 227 A N - 0 0 139 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.930 18.8-154.6-113.7 142.0 10.1 42.8 28.9 65 228 A I - 0 0 60 -2,-0.4 2,-0.5 2,-0.0 -59,-0.0 -0.968 4.0-154.1-124.4 126.4 7.5 44.6 26.8 66 229 A L - 0 0 157 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.849 25.6-175.6 -97.4 130.1 8.2 47.7 24.7 67 230 A F - 0 0 137 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.903 26.4-149.5-132.8 160.2 5.2 49.8 24.2 68 231 A K - 0 0 183 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.994 13.7-163.2-124.7 120.6 3.9 53.0 22.4 69 232 A I - 0 0 123 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.895 4.9-169.5-102.7 139.6 1.1 55.1 24.0 70 233 A N + 0 0 133 -2,-0.4 -2,-0.0 2,-0.0 0, 0.0 -0.654 10.8 176.0-139.1 82.6 -0.6 57.5 21.7 71 234 A G + 0 0 66 -2,-0.3 2,-0.2 -59,-0.0 -59,-0.0 -0.020 9.5 168.3 -74.1 177.8 -2.9 60.1 23.3 72 235 A T - 0 0 139 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.571 39.7 -95.6 168.1 131.4 -5.0 63.0 22.0 73 236 A T - 0 0 138 -2,-0.2 3,-0.2 1,-0.1 2,-0.0 -0.204 41.0-128.9 -63.7 143.6 -7.7 65.2 23.6 74 237 A E - 0 0 131 1,-0.2 -1,-0.1 2,-0.0 0, 0.0 -0.245 60.2 -13.5 -85.9 166.3 -11.5 64.4 23.1 75 238 A I 0 0 156 1,-0.2 -1,-0.2 -2,-0.0 -2,-0.0 0.376 360.0 360.0 22.0 66.2 -14.7 66.2 22.0 76 239 A Q 0 0 235 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.545 360.0 360.0 -13.1 360.0 -13.4 69.8 22.3